[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine

C18H29N3 — CID 27440328

IUPAC[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
SMILESNC[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H29N3/c19-13-17-7-4-10-21(15-17)18-8-11-20(12-9-18)14-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15,19H2/t17-/m0/s1
InChIKeyMGIDJIAQVXHRBE-KRWDZBQOSA-N
MW287.45 g/mol
LogP2.32
Rot. Bonds4

About [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine

[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine (PubChem CID 27440328) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
PubChem CID27440328
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
SMILESNC[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H29N3/c19-13-17-7-4-10-21(15-17)18-8-11-20(12-9-18)14-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15,19H2/t17-/m0/s1
InChIKeyMGIDJIAQVXHRBE-KRWDZBQOSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(1-benzylazepan-3-yl)methanamine
CID 15718476
[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
CID 126427460
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141068569

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine (CID 27440328) is [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine is NC[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine?
The InChIKey is MGIDJIAQVXHRBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3/c19-13-17-7-4-10-21(15-17)18-8-11-20(12-9-18)14-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15,19H2/t17-/m0/s1.
What are the key properties of [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine?
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 27440328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).